SCHEMBL11370238

SCHEMBL11370238

CN=C(NC#N)NCCNCc1nc[nH]c1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 14/20 0.51
▸ HRH3 Q9Y5N1 5/20 0.51
▸ HRH2 P25021 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ SLC22A2 O15244 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ ATP4A P20648 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ PDE4A P27815 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ ATP4B P51164 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ SLC47A2 Q86VL8 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11363563 0.88 HRH4 (0.58) HRH4HRH3HRH2LMNACYP3A4
SCHEMBL11352588 0.86 HRH4 (0.56) HRH4HRH3HRH2LMNACYP3A4
SCHEMBL11370218 0.83 HRH4 (0.44) HRH4HRH3HRH2LMNACYP3A4
SCHEMBL11364264 0.82 HRH2 (0.66) HRH4HRH3HRH2LMNACYP3A4
SCHEMBL11364247 0.82 HRH2 (0.66) HRH4HRH3HRH2LMNACYP3A4
SCHEMBL11361543 0.81 HRH4 (0.71) HRH4HRH3HRH2LMNACYP3A4
SCHEMBL16399100 0.81 HRH4 (0.55) HRH4HRH3HRH2LMNACYP3A4
SCHEMBL11355215 0.80 HRH4 (0.41) HRH4HRH3HRH2LMNACYP3A4
SCHEMBL11355204 0.80 HRH4 (0.41) HRH4HRH3HRH2LMNACYP3A4
SCHEMBL11357124 0.80 HRH4 (0.57) HRH4HRH3HRH2LMNACYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4293699-A CONTAINING A BENZIMIDAZOLE OR 3-/5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE, ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 — — US disclosed
US-4287198-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-09-01 — — US disclosed
US-4228291-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-14 — — US disclosed
US-4221802-A Pharmacologically active guanidine compounds for inhibiting H-2 histamine receptors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-09-09 — — US disclosed
US-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 — — US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 — — US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 — — US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 — — US disclosed
Send feedback